Cas no 93691-94-2 (Pentanedioic acid, monopentyl ester)

Pentanedioic acid, monopentyl ester structure
93691-94-2 structure
Product Name:Pentanedioic acid, monopentyl ester
CAS No:93691-94-2
MF:C10H17O4
MW:201.239583730698
CID:1982818
PubChem ID:71330048
Update Time:2025-04-21

Pentanedioic acid, monopentyl ester Chemical and Physical Properties

Names and Identifiers

    • Pentanedioic acid, monopentyl ester
    • 5-oxo-5-pentoxypentanoate
    • 93691-94-2
    • 5-OXO-5-(PENTYLOXY)PENTANOATE
    • DTXSID70758804
    • Inchi: 1S/C10H18O4/c1-2-3-4-8-14-10(13)7-5-6-9(11)12/h2-8H2,1H3,(H,11,12)/p-1
    • InChI Key: RCXRQQYEVFEVKN-UHFFFAOYSA-M
    • SMILES: O(C(CCCC(=O)[O-])=O)CCCCC

Computed Properties

  • Exact Mass: 201.11268402Da
  • Monoisotopic Mass: 201.11268402Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 66.4?2
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